orbital_charges     :real:2:4,3
  0.926871981001534E+000  0.100000000000000E+001  0.690265574568268E+000
 -0.100000000000000E+001  0.691431222487315E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.691431221942883E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.142491462483142E-016 -0.381562832545146E-009  0.266563065304130E+000
  0.529976284080648E-014  0.931950127645992E-001 -0.133281532825921E+000
 -0.528551369455817E-014 -0.931950123830363E-001 -0.133281532478209E+000
mermin_energy       :real:0:
 -0.430527438795134E+001
end_coords          :real:2:3,3
 -0.141374840202945E-026 -0.426881845086186E-010  0.734943995258572E+000
  0.647545790329485E-015  0.181217601030361E+001 -0.115947505673405E+001
 -0.647545790333468E-015 -0.181217601026350E+001 -0.115947505670894E+001
